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Merck

8.20258

5-Isopropyl-2-methylphenol

for synthesis

Synonym(s):

5-Isopropyl-2-methylphenol, 2-Methyl-5-isopropylphenol, Isothymol, Carvacrol

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About This Item

Linear Formula:
2-(CH3)-5-[CH(CH3)2]C6H3OH
CAS Number:
Molecular Weight:
150.22
UNSPSC Code:
12352104
EC Index Number:
207-889-6
NACRES:
NA.22
MDL number:
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Product Name

5-Isopropyl-2-methylphenol, for synthesis

SMILES string

Oc1c(ccc(c1)C(C)C)C

InChI

1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3

InChI key

RECUKUPTGUEGMW-UHFFFAOYSA-N

assay

≥97.0% (GC)

form

liquid

potency

810 mg/kg LD50, oral (Rat)

mp

3 °C

transition temp

flash point >100 °C

solubility

1.25 g/L

density

0.98 g/cm3 at 20 °C

storage temp.

2-30°C

Quality Level

Analysis Note

Assay (GC, area%): ≥ 97.0 % (a/a)
Density (d 20 °C/ 4 °C): 0.976 - 0.978
Identity (IR): passes test

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible, corrosive hazardous materials

wgk

WGK 3

flash_point_f

212.0 °F

flash_point_c

> 100 °C


Certificates of Analysis (COA)

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